Methyl 2-(octyloxy)benzoate supplier

Name
Methyl 2-(octyloxy)benzoate
EINECS 1806241-263-5
CAS No. 255062-85-2
Article Data5
CAS DataBase
Density 0.99g/cm³
Solubility
Melting Point
Formula C₁₆H₂₄O₃
Boiling Point 356.4 °C at 760 mmHg
Molecular Weight 264.365
Flash Point 148.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms methyl 2-octyloxybenzoate; 2-octoxybenzoic acid methyl ester; 2-octyloxybenzoic acid methyl ester;
PSA 35.53000
LogP 4.21250

Methyl 2-(octyloxy)benzoate Specification

The Methyl 2-(octyloxy)benzoate, with CAS registry number 255062-85-2, has the systematic name of methyl 2-(octyloxy)benzoate. Its molecular weight is 264.36. And the chemical formula of this chemical is C₁₆H₂₄O₃.

Physical properties of Methyl 2-(octyloxy)benzoate: (1)ACD/LogP: 5.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.76; (4)ACD/LogD (pH 7.4): 5.76; (5)ACD/BCF (pH 5.5): 14066.43; (6)ACD/BCF (pH 7.4): 14066.43; (7)ACD/KOC (pH 5.5): 32423.33; (8)ACD/KOC (pH 7.4): 32423.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 77.13 cm³; (15)Molar Volume: 266.8 cm³; (16)Polarizability: 30.57×10^-24cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 148.5 °C; (20)Enthalpy of Vaporization: 60.16 kJ/mol; (21)Boiling Point: 356.4 °C at 760 mmHg; (22)Vapour Pressure: 2.93E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccccc1OCCCCCCCC
(2)InChI: InChI=1/C16H24O3/c1-3-4-5-6-7-10-13-19-15-12-9-8-11-14(15)16(17)18-2/h8-9,11-12H,3-7,10,13H2,1-2H3
(3)InChIKey: PRDWTSMKTQTWLF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H24O3/c1-3-4-5-6-7-10-13-19-15-12-9-8-11-14(15)16(17)18-2/h8-9,11-12H,3-7,10,13H2,1-2H3
(5)Std. InChIKey: PRDWTSMKTQTWLF-UHFFFAOYSA-N

Product Name

Methyl 2-(octyloxy)benzoate

Methyl 2-(octyloxy)benzoate Specification

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